Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHVLIAVILFFLSIGLSAGCAEAGNKTQNQSATEVNASPLQPAEYFIYHNLMN-DKGLIKTDFSDQ--------PSYLSESLGLWMEFLLSKNDAPHFQDQYQHLTDSFLMSNHLVTWKIQNGQASGTNALIDDMRIMLSLDQAAAKWGRSDYAQTARDIGTSLKTYNMNNGFFTDFYDSQAASKDVTLSYVMPDALAVLKKNGIIDEETEQRNANVLYSAPL--KNGFLPKTYSSETKEYTYDSEINLIDQLYAAWHLPEGDEKASVLADWIKQEFQKNGKLYGRYSAYTKEPAVQYESPSVYALAVLFLTKQHENSSVIKAIYDRMNDFEIHDPVKSYYGGYMS--GTQTHSFDNLLPLLAERKLFNENIIQ 3REN Chain:A ((20-349)) -------------------------------------HMEEKMLFDFIEKDLSKSGYGIYTNYIDKSSEGDITKGHSVLSESEGLMMLYSVNANNKELFDEHFDIVKEMRL-KNGLISWRKEGDENSPSSATIDELRIIKALLLANNRWNSFYYKFYAINIANSLLKHAEENETLVDYIDNYGKGNTTTLCYLDLPTMKLLSQVDKKWEGIYEKSNSIIENGKISEEVPLYRKVFYEETQKYDEEENVDFLLSTIVILNRIEAGENEESSIKWIKEKFKKDGFLVATYNGKNGDATSQIESPSIYSNVALIANYI-GDKELFNKAIDKLKYYQIKNKDSVLYGGFGDEKTNSVYSFDNLNALLAFQKYK------

General information: TITO was launched using: RESULT: Template: 3REN.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1711 -113530 -66.35 -358.14 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -66.35 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.481

(partial model without unconserved sides chains): PDB file : Tito_3REN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3REN-query.scw PDB file : Tito_Scwrl_3REN.pdb: